2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide

C13H12Cl2N2O3S — CID 136531805

IUPAC2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C2CC2)c1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-7-12(13(20-16-7)8-5-6-8)17-21(18,19)10-4-2-3-9(14)11(10)15/h2-4,8,17H,5-6H2,1H3
InChIKeyWAAJGECGONDSQP-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.97
Rot. Bonds4

About 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide

2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 136531805) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID136531805
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C2CC2)c1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-7-12(13(20-16-7)8-5-6-8)17-21(18,19)10-4-2-3-9(14)11(10)15/h2-4,8,17H,5-6H2,1H3
InChIKeyWAAJGECGONDSQP-UHFFFAOYSA-N
XLogP3.97
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methyl-1,2-oxazol-5-yl)-2,3-dichlorobenzenesulfonamide
CID 18617376
N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(trifluoromethoxy)benzenesulfonamide
CID 126782691
3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 131909514
2,3-dichloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 9330124
N-anthracen-9-yl-2,3-dichlorobenzenesulfonamide
CID 19782287
3-(2-chloro-6-fluorophenyl)-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 164823176
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
carbon dioxide;1-(2-chlorophenyl)ethyl N-[5-[4-(4-cyclopropylphenyl)cyclohexyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 160531450
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684857
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-ethenyl-1,2-oxazole
CID 138592228
3-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-hydroxybenzenesulfonamide
CID 126823450

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 136531805) is 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide is Cc1noc(C2CC2)c1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is WAAJGECGONDSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-7-12(13(20-16-7)8-5-6-8)17-21(18,19)10-4-2-3-9(14)11(10)15/h2-4,8,17H,5-6H2,1H3.
What are the key properties of 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide?
2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 136531805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).